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PorphyStruct: A Digital Tool for the Quantitative Assignment of Non‐Planar Distortion Modes in Four‐Membered Porphyrinoids
PorphyStruct, a new digital tool for the analysis of non‐planar distortion modes of different porphyrinoids, and its application to corrole structures is reported. The program makes use of the normal‐coordinate structure decomposition technique (NSD) and employs sets of normal modes equivalent to th...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8453524/ https://www.ncbi.nlm.nih.gov/pubmed/34061410 http://dx.doi.org/10.1002/chem.202101243 |